1,2-Dimethyl-4,5-dinitrobenzene

Base Information

• Chemical Name: 1,2-Dimethyl-4,5-dinitrobenzene
• CAS No.: 610-23-1
• Molecular Formula: C8H8 N2 O4
• Molecular Weight: 196.163
• Hs Code.: 2904209090
• European Community (EC) Number: 210-213-2
• DSSTox Substance ID: DTXSID3060580
• Nikkaji Number: J134.621K
• Wikidata: Q81989133
• Mol file: 610-23-1.mol

Synonyms:1,2-Dimethyl-4,5-dinitrobenzene;4,5-Dinitro-o-xylene;610-23-1;35963-34-9;EINECS 210-213-2;Benzene, 1,2-dimethyl-4,5-dinitro-;4,5-Dinitro-o-xylol;SCHEMBL772362;DTXSID3060580;1,2-Dinitro-4,5-dimethylbenzene;AKOS006273933;A936272;AE-562/43460489

Chemical Property of 1,2-Dimethyl-4,5-dinitrobenzene

Chemical Property:

• Vapor Pressure: 3.93E-05mmHg at 25°C
• Melting Point: 115-116 °C
• Boiling Point: 362.8°C at 760 mmHg
• Flash Point: 185.6°C
• PSA: 91.64000
• Density: 1.346g/cm³
• LogP: 3.16620
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 196.04840674
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,2-Dimethyl-4,5-dinitrobenzene

There total 22 articles about 1,2-Dimethyl-4,5-dinitrobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

→ 4,5-dimethyl-1,2-dinitrobenzene (610-23-1)

Guidance literature:

With potassium nitrite; In various solvent(s); at 0 ℃; for 0.0833333h;

Reference yield: 100.0%

acetic anhydride (108-24-7) → 4,5-dimethyl-1,2-dinitrobenzene (610-23-1)

Guidance literature:

With perdeuteriopyridine; at 0 ℃; for 18h;

Reference yield: 87.0%

4,5-dimethyl-1,2-phenylenediamine (3171-45-7) → 4,5-dimethyl-1,2-dinitrobenzene (610-23-1)

Guidance literature:

With HOF* CH₃CN; sodium fluoride; In dichloromethane; water; acetonitrile; at -15 ℃; for 0.0666667h;

DOI:10.1021/jo030217m

upstream raw materials:

4-nitro-o-xylene

4,5-dimethyl-2-nitrobenzenamine

sodium cyanide

5,6-dimethyl-2,6-dinitrocyclohexa-2,4-dienyl acetate

Downstream raw materials:

N⁴,N⁴-diethyl-N¹-(4,5-dimethyl-2-nitro-phenyl)-1-methyl-butanediyldiamine

1,2-dimethyl-3,4,5-trinitro-benzene

4,5-dimethyl-2-nitrobenzenamine

5,6-dimethyl-1H-benzo[d]imida-zole

Refernces

• 1、 Sharma,Joshi,Kulkarni. "Continuous-Flow Nitration of o-Xylene: Effect of Nitrating Agent and Feasibility of Tubular Reactors for Scale-Up". . p. 1138 - 1147. Retrieved 2015/09/28.
• 2、 Svoboda, Jiri,Schmaderer, Harald,Koenig, Burkhard. "Thiourea-enhanced flavin photooxidation of benzyl alcohol". supporting information; experimental part. p. 1854 - 1865. Retrieved 2009/04/06.